4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C23H28N8O2 — CID 71133765

IUPAC4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1cc(C2=CCN(C(=O)O)CC2)c2nc(N(c3cc(C)ncn3)C3CCNCC3)nn2c1
InChIInChI=1S/C23H28N8O2/c1-15-11-19(17-5-9-29(10-6-17)23(32)33)21-27-22(28-30(21)13-15)31(18-3-7-24-8-4-18)20-12-16(2)25-14-26-20/h5,11-14,18,24H,3-4,6-10H2,1-2H3,(H,32,33)
InChIKeyOEIBLSMGLVMHSG-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.79
Rot. Bonds4

About 4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 71133765) has the molecular formula C23H28N8O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID71133765
Molecular FormulaC23H28N8O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC Name4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1cc(C2=CCN(C(=O)O)CC2)c2nc(N(c3cc(C)ncn3)C3CCNCC3)nn2c1
InChIInChI=1S/C23H28N8O2/c1-15-11-19(17-5-9-29(10-6-17)23(32)33)21-27-22(28-30(21)13-15)31(18-3-7-24-8-4-18)20-12-16(2)25-14-26-20/h5,11-14,18,24H,3-4,6-10H2,1-2H3,(H,32,33)
InChIKeyOEIBLSMGLVMHSG-UHFFFAOYSA-N
XLogP2.79
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 71133765) is 4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is Cc1cc(C2=CCN(C(=O)O)CC2)c2nc(N(c3cc(C)ncn3)C3CCNCC3)nn2c1.
What is the InChIKey of 4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is OEIBLSMGLVMHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2/c1-15-11-19(17-5-9-29(10-6-17)23(32)33)21-27-22(28-30(21)13-15)31(18-3-7-24-8-4-18)20-12-16(2)25-14-26-20/h5,11-14,18,24H,3-4,6-10H2,1-2H3,(H,32,33).
What are the key properties of 4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 448.53 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 71133765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).